| Properties | Image |
|---|
| MNX_ID | MNXM1176028 |
 |
| reference | envipathM:...d14fd0d21f20 |
| formula | C58H98O16 |
| global charge | -2 |
| mol weight | 1051.406 |
| InChIKey | MYUMNNHGEZWADK-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H100O16/c1-4-6-8-9-10-11-12-13-14-15-16-17-22-32-40-54(63)72-45(43-71-53(62)39-31-24-19-21-28-37-50-51(74-50)41-47(60)46(59)34-7-5-2)42-70-52(61)38-30-23-18-20-27-35-48-49(73-48)36-29-25-26-33-44(3)58(69,57(67)68)55(64)56(65)66/h9-10,12-13,44-51,55,59-60,64,69H,4-8,11,14-43H2,1-3H3,(H,65,66)(H,67,68)/p-2 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCC(C)C(O)(C(=O)[O-])C(O)C(=O)[O-])COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H100O16/c1-4-6-8-9-10-11-12-13-14-15-16-17-22-32-40-54(63)72-45(43-71-53(62)39-31-24-19-21-28-37-50-51(74-50)41-47(60)46(59)34-7-5-2)42-70-52(61)38-30-23-18-20-27-35-48-49(73-48)36-29-25-26-33-44(3)58(69,57(67)68)55(64)56(65)66/h9-10,12-13,44-51,55,59-60,64,69H,4-8,11,14-43H2,1-3H3,(H,65,66)(H,67,68)/b10-9?,13-12?/t44?,45?,46?,47?,48?,49?,50?,51?,55?,58? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:22][CH2:32][CH2:40][C:54](=[O:63])[O:72][CH:45]([CH2:42][O:70][C:52]([CH2:38][CH2:30][CH2:23][CH2:18][CH2:20][CH2:27][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:29][CH2:25][CH2:26][CH2:33][CH:44]([CH3:3])[C:58]([CH:55]([C:56](=[O:65])[OH:66])[OH:64])([C:57](=[O:67])[OH:68])[OH:69])[O:73]1)=[O:61])[CH2:43][O:71][C:53]([CH2:39][CH2:31][CH2:24][CH2:19][CH2:21][CH2:28][CH2:37][CH:50]1[CH:51]([CH2:41][CH:47]([CH:46]([CH2:34][CH2:7][CH2:5][CH3:2])[OH:59])[OH:60])[O:74]1)=[O:62] |
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